Geometry & MOs

Info

ID:	285322
PubChem CID:	104099038
Reduced:	ON6C12H22 (1)
Stoich.:	AB6C12D22 (1)
Weight, g/mol:	236.082874
ΔH_f, kcal/mol:	7.93
Dipole, Da:	4.53
IP(EA), eV:	-9.44(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chlorophenyl)methyl]-2-(triazol-1-yl)ethanamine

Drug info:

PubChemData

Smile

CN(C)C(=O)N1CCC(CC1)NCCN2C=CN=N2

DOS

IR

Vibrations